O=C(O)C1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1 ZINC000000032686 30/45/04/219304504 IUCPNJCAPZVNJW-UHFFFAOYSA-N -1 355.441 FD 1.861 0 Anodyne ref FDAARM O=C([O-])C1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1 C=C(C)CN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1 ZINC000000426003 30/47/72/219304772 TXYORYHXXIDTDI-UHFFFAOYSA-N -1 350.396 FD 1.813 0 Mild ref FDEARM C=C(C)CN(CC)S(=O)(=O)c1ccc2ncc(C(=O)[O-])c(O)c2c1 O=C(O)c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000000784159 27/13/22/210271322 MAKXWEYYRGLODM-UHFFFAOYSA-N -1 374.418 FD 1.532 0 Anodyne ref FDAARM O=C([O-])c1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 COc1ccc(OC)c(N(CC(=O)O)S(=O)(=O)c2ccccc2)c1 ZINC000000833340 21/99/34/518219934 QQJDSXXHTWFLJD-UHFFFAOYSA-N -1 351.38 FD 1.984 0 Anodyne ref FDAARM COc1ccc(OC)c(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)c1 CC(=O)NS(=O)(=O)c1ccc(NC(=N)Nc2nc(C)cc(C)n2)cc1 ZINC000000852668 22/26/89/518222689 OECJEOMPNBCNTP-UHFFFAOYSA-N -1 362.415 FD 1.377 0 Anodyne ref FDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=N)Nc2nc(C)cc(C)n2)cc1 NN(CCC(=O)NC1CCCCC1)C1=NS(=O)(=O)c2ccccc21 ZINC000000872514 84/09/06/206840906 FCAAQYALSRZFGW-UHFFFAOYSA-N 0 350.444 FD 1.15 0 Anodyne ref FDAARN NN(CCC(=O)NC1CCCCC1)C1=NS(=O)(=O)c2ccccc21 COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000001060971 22/59/49/518225949 LWYYFQZGYAFYQJ-UHFFFAOYSA-N 0 363.391 FD 1.826 0 Anodyne ref FDAARN COC(=O)CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 COc1ccc(/C=N/N(CCO)C2=NS(=O)(=O)c3ccccc32)cc1 ZINC000001063617 31/18/96/210311896 UQNNQLUCNZGMNE-LDADJPATSA-N 0 359.407 FD 1.473 0 Mild ref FDEARN COc1ccc(/C=N/N(CCO)C2=NS(=O)(=O)c3ccccc32)cc1 COc1ccc(CCNS(=O)(=O)c2cccc(C(=O)O)c2)cc1OC ZINC000001076063 36/53/85/219365385 KFXRJLCUOYZYCO-UHFFFAOYSA-N -1 365.407 FD 1.923 0 Anodyne ref FDAARM COc1ccc(CCNS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1OC O=C(CNC(=O)OCc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O ZINC000001575538 36/10/48/210361048 FLGYJBNDDWLTQR-MRXNPFEDSA-N -1 356.378 FD 1.725 0 Anodyne ref FDAARM O=C(CNC(=O)OCc1ccccc1)N[C@H](Cc1ccccc1)C(=O)[O-] in-vitro biogenic CCOC(=O)C(Cc1cccc([N+](=O)[O-])c1)(NC(C)=O)C(=O)OCC ZINC000001595850 07/23/88/210072388 DVHDKDFOJBEZEA-UHFFFAOYSA-N 0 352.343 FD 1.138 0 Bother ref FDBARN CCOC(=O)C(Cc1cccc([N+](=O)[O-])c1)(NC(C)=O)C(=O)OCC O=C1c2ccccc2C(=O)N1CCNCCN1C(=O)c2ccccc2C1=O ZINC000001610008 36/21/03/210362103 YQNSTSVPCJTWSA-UHFFFAOYSA-N 0 363.373 FD 1.168 3 Anodyne high FDAAHN O=C1c2ccccc2C(=O)N1CCNCCN1C(=O)c2ccccc2C1=O O=C1c2ccccc2C(=O)N1CCNCCN1C(=O)c2ccccc2C1=O ZINC000001610008 36/21/00/210362100 YQNSTSVPCJTWSA-UHFFFAOYSA-N 1 363.373 FD 1.168 0 Anodyne ref FDAARO O=C1c2ccccc2C(=O)N1CC[NH2+]CCN1C(=O)c2ccccc2C1=O O=C(CNC(=O)OCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O ZINC000002004334 37/62/26/210376226 FLGYJBNDDWLTQR-INIZCTEOSA-N -1 356.378 FD 1.725 0 Anodyne ref FDAARM O=C(CNC(=O)OCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)[O-] in-vitro biogenic O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12 ZINC000002928241 25/44/70/518254470 FVOBEGVUELSHSE-LBPRGKRZSA-N -1 363.42 FD 1.666 0 Anodyne ref FDAARM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12 O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12 ZINC000002928242 25/45/86/518254586 FVOBEGVUELSHSE-GFCCVEGCSA-N -1 363.42 FD 1.666 0 Anodyne ref FDAARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12 CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)O)c3ccccc3)ccc21 ZINC000002928254 25/50/46/518255046 XDPBBCWFSQYXFT-KRWDZBQOSA-N -1 374.418 FD 1.7 0 Anodyne ref FDAARM CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc21 CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)O)c3ccccc3)ccc21 ZINC000002928256 25/43/97/518254397 XDPBBCWFSQYXFT-QGZVFWFLSA-N -1 374.418 FD 1.7 0 Anodyne ref FDAARM CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)[O-])c3ccccc3)ccc21 CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)ccc21 ZINC000002928301 25/41/26/518254126 HXRFVAWKAYKEQL-AWEZNQCLSA-N -1 368.455 FD 1.763 0 Anodyne ref FDAARM CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc21 CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O)ccc21 ZINC000002928303 06/91/40/204069140 HXRFVAWKAYKEQL-CQSZACIVSA-N -1 368.455 FD 1.763 0 Anodyne ref FDAARM CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])ccc21 CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)ccc21 ZINC000002928304 43/80/44/210438044 NHOZIGABWPZVID-HNNXBMFYSA-N -1 354.428 FD 1.373 0 Anodyne ref FDAARM CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)ccc21 CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)ccc21 ZINC000002928305 25/48/26/518254826 NHOZIGABWPZVID-OAHLLOKOSA-N -1 354.428 FD 1.373 0 Anodyne ref FDAARM CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)ccc21 O=C1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)O)ccc2N1 ZINC000002928377 94/67/30/206946730 ZGMHGFULRKEWPM-INIZCTEOSA-N -1 374.418 FD 1.546 0 Anodyne ref FDAARM O=C1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc2N1 O=C1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)O)ccc2N1 ZINC000002928378 25/49/81/518254981 ZGMHGFULRKEWPM-MRXNPFEDSA-N -1 374.418 FD 1.546 0 Anodyne ref FDAARM O=C1CCc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)[O-])ccc2N1 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO ZINC000003833821 28/04/39/518280439 OIGNJSKKLXVSLS-VWUMJDOOSA-N 0 360.45 FD 1.558 0 Mild ref FDEARN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO fda C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO ZINC000004083557 00/00/55/207000055 MFYSYFVPBJMHGN-ZPOLXVRWSA-N 0 360.45 FD 1.99 0 Mild ref FDEARN C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO world endogenous C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CO ZINC000004340274 29/48/89/518294889 MFYSYFVPBJMHGN-YMLCXZJMSA-N 0 360.45 FD 1.99 0 Mild ref FDEARN C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CO in-vitro C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CO ZINC000004340309 41/22/64/574412264 JYGXADMDTFJGBT-CZFMHFDVSA-N 0 362.466 FD 1.782 0 Mild ref FDEARN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CO in-man endogenous C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO ZINC000004429996 29/77/39/518297739 JYGXADMDTFJGBT-MKIDGPAKSA-N 0 362.466 FD 1.782 0 Mild ref FDEARN C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO in-vitro C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO ZINC000004535851 30/34/52/518303452 MFYSYFVPBJMHGN-YKAMNDFBSA-N 0 360.45 FD 1.99 0 Anodyne ref FDAARN C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO CS(=O)(=O)N(CC(=O)O)c1ccc(I)cc1 ZINC000004551516 30/36/33/518303633 OJWIJGGMZWYDNZ-UHFFFAOYSA-N -1 355.153 FD 1.142 0 Anodyne ref FDAARM CS(=O)(=O)N(CC(=O)[O-])c1ccc(I)cc1 CC1CCN(S(=O)(=O)c2cn(CC(=O)O)c(=O)c3ccccc23)CC1 ZINC000004563802 02/89/37/207028937 JRGXFIBOSALWCA-UHFFFAOYSA-N -1 364.423 FD 1.507 0 Anodyne ref FDAARM CC1CCN(S(=O)(=O)c2cn(CC(=O)[O-])c(=O)c3ccccc23)CC1 O=[N+]([O-])c1cc(N2S(=O)(=O)c3ccccc3S2(=O)=O)ccc1F ZINC000004659659 03/54/37/207035437 DLCOSIWHWHHDMC-UHFFFAOYSA-N 0 358.328 FD 1.631 0 Bother ref FDBARN O=[N+]([O-])c1cc(N2S(=O)(=O)c3ccccc3S2(=O)=O)ccc1F Cc1ccc(S(=O)(=O)NNC2=NS(=O)(=O)c3ccccc32)c(C)c1 ZINC000004681147 03/82/98/207038298 QARULBNZWNDVPO-UHFFFAOYSA-N 0 365.436 FD 1.235 0 Anodyne ref FDAARN Cc1ccc(S(=O)(=O)NNC2=NS(=O)(=O)c3ccccc32)c(C)c1 NC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O ZINC000004769713 04/62/18/207046218 UTUPXKNHKQWEAT-KBPBESRZSA-N -1 357.318 FD 1.007 0 Anodyne ref FDAARM NC(=O)[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)[O-] NC(=O)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)O ZINC000004769714 16/29/38/204162938 UTUPXKNHKQWEAT-KGLIPLIRSA-N -1 357.318 FD 1.007 0 Anodyne ref FDAARM NC(=O)[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)C(=O)[O-] NC(=O)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O ZINC000004769717 31/35/63/518313563 UTUPXKNHKQWEAT-UONOGXRCSA-N -1 357.318 FD 1.007 0 Anodyne ref FDAARM NC(=O)[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)[O-] NC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)O ZINC000004769720 16/24/53/204162453 UTUPXKNHKQWEAT-ZIAGYGMSSA-N -1 357.318 FD 1.007 0 Anodyne ref FDAARM NC(=O)[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)C(=O)[O-] COc1cc(C(=O)N2CCOCC2)c(Br)c(OC)c1OC ZINC000004819667 05/06/63/207050663 KTQCBNQDHHQDAV-UHFFFAOYSA-N 0 360.204 FD 1.947 0 Anodyne ref FDAARN COc1cc(C(=O)N2CCOCC2)c(Br)c(OC)c1OC COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000004851575 31/54/97/518315497 QONCHLXJRZFUQK-UHFFFAOYSA-N 0 350.352 FD 1.963 0 Bother ref FDBARN COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)cc1OC ZINC000004995271 06/88/81/207068881 MCPGDMPLCLMLPW-UHFFFAOYSA-N -1 351.38 FD 1.984 0 Anodyne ref FDAARM COc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)cc1OC COc1ccc(N(CC(=O)O)S(=O)(=O)c2ccccc2)c(OC)c1 ZINC000005010215 07/29/79/207072979 UOWXNNFBZPHOCR-UHFFFAOYSA-N -1 351.38 FD 1.984 0 Anodyne ref FDAARM COc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)c(OC)c1 CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)O)CC2)cc1 ZINC000006132218 36/40/68/518364068 NCCWJIKLDMTYLD-UHFFFAOYSA-N -1 354.428 FD 1.814 0 Anodyne ref FDAARM CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)[O-])CC2)cc1 C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO ZINC000006472665 67/47/99/210674799 OIGNJSKKLXVSLS-MKIDGPAKSA-N 0 360.45 FD 1.558 0 Mild ref FDEARN C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO CC(C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)O ZINC000006645544 15/04/43/207150443 DTQMXDHNGOJCJQ-HIFRSBDPSA-N -1 368.455 FD 1.313 0 Anodyne ref FDAARM CC(C)[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)[O-] CC(C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)O ZINC000006645545 68/40/48/210684048 DTQMXDHNGOJCJQ-ZFWWWQNUSA-N -1 368.455 FD 1.313 0 Anodyne ref FDAARM CC(C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)[O-] CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)O ZINC000006662649 25/90/44/204259044 XPALVGDASHJIDW-HNNXBMFYSA-N -1 368.455 FD 1.313 0 Anodyne ref FDAARM CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)[O-] C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CO ZINC000011592559 56/51/86/518565186 JYGXADMDTFJGBT-IJKQGUKSSA-N 0 362.466 FD 1.782 0 Mild ref FDEARN C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CO in-vitro CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(CC(=O)O)cs2)cc1 ZINC000011730770 57/13/85/518571385 RTTDXWGPFHEOHK-UHFFFAOYSA-N -1 355.397 FD 1.529 2 Anodyne low FDAALM CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1 CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(CC(=O)O)cs2)cc1 ZINC000011730770 57/13/68/518571368 RTTDXWGPFHEOHK-UHFFFAOYSA-N -2 355.397 FD 1.529 0 Anodyne ref FDAARL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)[O-])cs2)cc1 Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 ZINC000013129998 02/53/05/211025305 ZRVUJXDFFKFLMG-UHFFFAOYSA-N -1 351.409 FD 1.951 0 Anodyne ref FDAARM Cc1cnc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2C)s1 fda CCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C[C@@H]2CCCO2)C1 ZINC000013322715 06/35/46/220063546 KBISCBOHEUHMAZ-NEPJUHHUSA-N -1 360.505 FD 1.649 1 Anodyne mid FDAAMM CCS(=O)(=O)N1CCC[C@@H](c2n[n-]c(=S)n2C[C@@H]2CCCO2)C1 CCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C[C@@H]2CCCO2)C1 ZINC000013322715 06/35/43/220063543 KBISCBOHEUHMAZ-NEPJUHHUSA-N 0 360.505 FD 1.649 0 Anodyne ref FDAARN CCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(=S)n2C[C@@H]2CCCO2)C1 CCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=S)n2C[C@@H]2CCCO2)C1 ZINC000013322717 06/38/76/220063876 KBISCBOHEUHMAZ-RYUDHWBXSA-N -1 360.505 FD 1.649 1 Anodyne mid FDAAMM CCS(=O)(=O)N1CCC[C@H](c2n[n-]c(=S)n2C[C@@H]2CCCO2)C1 CCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=S)n2C[C@@H]2CCCO2)C1 ZINC000013322717 06/38/74/220063874 KBISCBOHEUHMAZ-RYUDHWBXSA-N 0 360.505 FD 1.649 0 Anodyne ref FDAARN CCS(=O)(=O)N1CCC[C@H](c2n[nH]c(=S)n2C[C@@H]2CCCO2)C1 C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO ZINC000013540519 65/97/10/518659710 JYGXADMDTFJGBT-VWUMJDOOSA-N 0 362.466 FD 1.782 0 Mild ref FDEARN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO fda aggregator CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000015080517 70/90/60/518709060 PNZLNINKFSSOLS-LLVKDONJSA-N 0 366.361 FD 1.874 0 Anodyne ref FDAARN CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000015080521 12/21/22/211122122 PNZLNINKFSSOLS-NSHDSACASA-N 0 366.361 FD 1.874 0 Anodyne ref FDAARN CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 COC(=O)c1sccc1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000015084528 12/22/86/211122286 KPCLPBLTPXDOIR-UHFFFAOYSA-N -1 355.393 FD 1.742 3 Anodyne high FDAAHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2 COC(=O)c1sccc1S(=O)(=O)NCc1ccc2c(c1)OCO2 ZINC000015084528 12/22/80/211122280 KPCLPBLTPXDOIR-UHFFFAOYSA-N 0 355.393 FD 1.742 0 Anodyne ref FDAARN COC(=O)c1sccc1S(=O)(=O)NCc1ccc2c(c1)OCO2 C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CO ZINC000016248886 63/26/05/204632605 OIGNJSKKLXVSLS-IJKQGUKSSA-N 0 360.45 FD 1.558 0 Mild ref FDEARN C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)CO O=S(=O)(O)c1cc(I)c(O)c2ncccc12 ZINC000019336232 80/81/92/518808192 ZBJWWKFMHOAPNS-UHFFFAOYSA-N -2 351.121 FD 1.792 1 Anodyne mid FDAAML O=S(=O)([O-])c1cc(I)c([O-])c2ncccc12 world O=S(=O)(O)c1cc(I)c(O)c2ncccc12 ZINC000019336232 80/81/89/518808189 ZBJWWKFMHOAPNS-UHFFFAOYSA-N -1 351.121 FD 1.792 0 Anodyne ref FDAARM O=S(=O)([O-])c1cc(I)c(O)c2ncccc12 world Nc1nnc(CCNS(=O)(=O)c2ccc(Br)cc2)s1 ZINC000020201399 31/84/35/220318435 MTIQWVSOLZVVLN-UHFFFAOYSA-N 0 363.262 FD 1.404 0 Anodyne ref FDAARN Nc1nnc(CCNS(=O)(=O)c2ccc(Br)cc2)s1 CN(C)S(=O)(=O)c1ccc(NCCNC(=O)OC(C)(C)C)c(N)c1 ZINC000021021264 34/89/09/220348909 KVCXWXCRLSPFMI-UHFFFAOYSA-N 0 358.464 FD 1.456 0 Anodyne ref FDAARN CN(C)S(=O)(=O)c1ccc(NCCNC(=O)OC(C)(C)C)c(N)c1 CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)O ZINC000021164213 35/31/35/220353135 UUSGKLWQZVWMDK-OAHLLOKOSA-N -1 352.412 FD 1.223 0 Anodyne ref FDAARM CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@@H]1C(=O)[O-] CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)O ZINC000021164218 30/87/88/211308788 UUSGKLWQZVWMDK-HNNXBMFYSA-N -1 352.412 FD 1.223 0 Anodyne ref FDAARM CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2C[C@H]1C(=O)[O-] CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000032917494 69/81/76/220698176 GORZILZTPWXYJZ-UHFFFAOYSA-N -1 353.4 FD 1.705 0 Anodyne ref FDAARM CCOc1ccc(N(CC(=O)[O-])S(=O)(=O)c2c(C)n[nH]c2C)cc1 CCC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc2C[C@@H]1C ZINC000032917495 57/53/00/211575300 DFHXGQSEULUZCM-ZBEGNZNMSA-N -1 368.455 FD 1.762 0 Anodyne ref FDAARM CCC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc2C[C@@H]1C CCC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc2C[C@H]1C ZINC000032917497 55/09/54/519550954 DFHXGQSEULUZCM-BZNIZROVSA-N -1 368.455 FD 1.762 0 Anodyne ref FDAARM CCC(=O)N1c2ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc2C[C@H]1C CCC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc2C[C@@H]1C ZINC000032917498 55/13/18/519551318 DFHXGQSEULUZCM-MEDUHNTESA-N -1 368.455 FD 1.762 0 Anodyne ref FDAARM CCC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc2C[C@@H]1C CCC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc2C[C@H]1C ZINC000032917500 55/13/26/519551326 DFHXGQSEULUZCM-BDJLRTHQSA-N -1 368.455 FD 1.762 0 Anodyne ref FDAARM CCC(=O)N1c2ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc2C[C@H]1C O=C(O)c1ccc(CN2CCN(Cc3ccc(F)cc3)C(=O)C2=O)cc1 ZINC000032918686 55/09/76/519550976 KELLYVJVBVOQSG-UHFFFAOYSA-N -1 356.353 FD 1.895 0 Anodyne ref FDAARM O=C([O-])c1ccc(CN2CCN(Cc3ccc(F)cc3)C(=O)C2=O)cc1 O=C(O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21 ZINC000033048050 56/71/45/519567145 AFVLAPJLLZLNJR-HNNXBMFYSA-N -1 357.41 FD 1.713 0 Anodyne ref FDAARM O=C([O-])CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21 O=C(O)CN1C(=O)[C@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21 ZINC000033048051 56/81/63/519568163 AFVLAPJLLZLNJR-OAHLLOKOSA-N -1 357.41 FD 1.713 0 Anodyne ref FDAARM O=C([O-])CN1C(=O)[C@H]2CCCCN2c2ccc(C(=O)N3CCCC3)cc21 COc1ccc(CCN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1OC ZINC000034926285 59/90/70/519599070 ZZHROOKMEOFOFX-HUUCEWRRSA-N 0 366.458 FD 1.816 3 Anodyne high FDAAHN COc1ccc(CCN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1OC COc1ccc(CCN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1OC ZINC000034926285 59/90/61/519599061 ZZHROOKMEOFOFX-HUUCEWRRSA-N 1 366.458 FD 1.816 0 Anodyne ref FDAARO COc1ccc(CC[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1OC COc1ccc(CNC(=O)CN(CC(=O)O)c2ccccc2)cc1OC ZINC000034926506 59/91/51/519599151 GBMSQSDWXKFHDY-UHFFFAOYSA-N -1 358.394 FD 1.911 0 Anodyne ref FDAARM COc1ccc(CNC(=O)CN(CC(=O)[O-])c2ccccc2)cc1OC COc1cccc(CNC(=O)CN(CC(=O)O)c2ccccc2)c1OC ZINC000034926508 59/98/31/519599831 LHJXSHJPAPMUSA-UHFFFAOYSA-N -1 358.394 FD 1.911 0 Anodyne ref FDAARM COc1cccc(CNC(=O)CN(CC(=O)[O-])c2ccccc2)c1OC O=C(O)CN(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000034926580 93/51/64/132935164 GDJWWLQOZMZELX-UHFFFAOYSA-N -1 353.422 FD 1.926 0 Anodyne ref FDAARM O=C([O-])CN(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 O=C(O)CN(CC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000034926584 59/94/28/519599428 HPKDEKSRVJINQP-UHFFFAOYSA-N 0 354.41 FD 1.321 2 Anodyne low FDAALN O=C([O-])CN(CC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 O=C(O)CN(CC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000034926584 59/94/18/519599418 HPKDEKSRVJINQP-UHFFFAOYSA-N -1 354.41 FD 1.321 0 Anodyne ref FDAARM O=C([O-])CN(CC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 Cn1nc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c2c1CCNC2 ZINC000034927278 59/92/79/519599279 PPPALZFZNDWEKD-AWEZNQCLSA-N 0 367.453 FD 1.557 3 Anodyne high FDAAHN Cn1nc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c2c1CCNC2 Cn1nc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c2c1CCNC2 ZINC000034927278 59/92/69/519599269 PPPALZFZNDWEKD-AWEZNQCLSA-N 1 367.453 FD 1.557 0 Anodyne ref FDAARO Cn1nc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c2c1CC[NH2+]C2 Cn1nc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c2c1CCNC2 ZINC000034927279 11/80/24/208118024 PPPALZFZNDWEKD-CQSZACIVSA-N 0 367.453 FD 1.557 3 Anodyne high FDAAHN Cn1nc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c2c1CCNC2 Cn1nc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c2c1CCNC2 ZINC000034927279 11/80/15/208118015 PPPALZFZNDWEKD-CQSZACIVSA-N 1 367.453 FD 1.557 0 Anodyne ref FDAARO Cn1nc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c2c1CC[NH2+]C2 Cn1nc(C(=O)N2CCCC2)c2c1CCN(Cc1ccc(C(=O)O)cc1)C2 ZINC000034928778 59/89/57/519598957 UNPSWPMSEJJPIF-UHFFFAOYSA-N 0 368.437 FD 1.913 1 Anodyne mid FDAAMN Cn1nc(C(=O)N2CCCC2)c2c1CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)C2 Cn1nc(C(=O)N2CCCC2)c2c1CCN(Cc1ccc(C(=O)O)cc1)C2 ZINC000034928778 59/89/51/519598951 UNPSWPMSEJJPIF-UHFFFAOYSA-N 0 368.437 FD 1.913 1 Anodyne mid FDAAMN Cn1nc(C(=O)N2CCCC2)c2c1CC[N@H+](Cc1ccc(C(=O)[O-])cc1)C2 Cn1nc(C(=O)N2CCCC2)c2c1CCN(Cc1ccc(C(=O)O)cc1)C2 ZINC000034928778 59/89/43/519598943 UNPSWPMSEJJPIF-UHFFFAOYSA-N -1 368.437 FD 1.913 0 Anodyne ref FDAARM Cn1nc(C(=O)N2CCCC2)c2c1CCN(Cc1ccc(C(=O)[O-])cc1)C2 O=C(O)C1=C(Nc2nnc(S)s2)C(=O)N(CCc2ccccc2)C1 ZINC000035178119 60/14/93/519601493 YVVKSSWRGKFZGF-UHFFFAOYSA-N -1 362.436 FD 1.662 1 Anodyne mid FDAAMM O=C([O-])C1=C(Nc2n[nH]c(=S)s2)C(=O)N(CCc2ccccc2)C1 O=C(O)C1=C(Nc2nnc(S)s2)C(=O)N(CCc2ccccc2)C1 ZINC000035178119 60/14/83/519601483 YVVKSSWRGKFZGF-UHFFFAOYSA-N -2 362.436 FD 1.662 0 Anodyne ref FDAARL O=C([O-])C1=C(Nc2n[n-]c(=S)s2)C(=O)N(CCc2ccccc2)C1 C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO ZINC000036372420 62/09/28/519620928 JYGXADMDTFJGBT-KSKPGIFSSA-N 0 362.466 FD 1.782 0 Anodyne ref FDAARN C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO ZINC000036372421 62/16/64/519621664 JYGXADMDTFJGBT-LHXCVJCSSA-N 0 362.466 FD 1.782 0 Anodyne ref FDAARN C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO ZINC000036372454 62/13/91/519621391 MFYSYFVPBJMHGN-QOQYEHNVSA-N 0 360.45 FD 1.99 0 Anodyne ref FDAARN C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO ZINC000044964093 02/16/09/522021609 OIGNJSKKLXVSLS-UZSPEORTSA-N 0 360.45 FD 1.558 0 Anodyne ref FDAARN C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO in-vitro CC(C)NS(=O)(=O)c1ccc(NCCNC(=O)OC(C)(C)C)c(N)c1 ZINC000045796126 15/94/55/522159455 JAZFSGUOPDPEBN-UHFFFAOYSA-N 0 372.491 FD 1.892 0 Anodyne ref FDAARN CC(C)NS(=O)(=O)c1ccc(NCCNC(=O)OC(C)(C)C)c(N)c1 COC(=O)c1cc2c(=O)n(-n3c(C)nnc3C)ccc2nc1/C=C/N(C)C ZINC000072406630 23/67/08/522236708 VDDICPDRSMKGIT-SOFGYWHQSA-N 1 368.397 FD 1.235 2 Anodyne low FDAALO COC(=O)c1cc2c(=O)n(-n3c(C)nnc3C)ccc2nc1/C=C/[NH+](C)C COC(=O)c1cc2c(=O)n(-n3c(C)nnc3C)ccc2nc1/C=C/N(C)C ZINC000072406630 23/66/92/522236692 VDDICPDRSMKGIT-SOFGYWHQSA-N 0 368.397 FD 1.235 0 Anodyne ref FDAARN COC(=O)c1cc2c(=O)n(-n3c(C)nnc3C)ccc2nc1/C=C/N(C)C C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO ZINC000078807641 65/35/67/523653567 OIGNJSKKLXVSLS-KSKPGIFSSA-N 0 360.45 FD 1.558 0 Mild ref FDEARN C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)CO in-vitro COC(=O)/C(=C/N(C)C)C1=NN(c2ccc(OC)cc2)C(=O)/C1=C\N(C)C ZINC000085389170 73/19/29/221731929 BNXHRWPWVIDESX-UKVBVZPVSA-N 0 372.425 FD 1.462 0 Clean ref FDCARN COC(=O)/C(=C/N(C)C)C1=NN(c2ccc(OC)cc2)C(=O)/C1=C\N(C)C